SCHEMBL3198080

SCHEMBL3198080

CC(C)(C)CS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP13 P45452 4/20 0.39
GAA P10253 1/20 0.36
PSIP1 O75475 2/20 0.35
HSD11B1 P28845 1/20 0.35
CA2 P00918 2/20 0.33
ELANE P08246 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP2 P08253 3/20 0.32
MMP1 P03956 2/20 0.32
CA1 P00915 1/20 0.31
LGMN Q99538 1/20 0.30
PLCG1 P19174 1/20 0.30
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7682009 0.79 PNMT (0.37) ALDH1A1MEN1KMT2AMMP13PSIP1
SCHEMBL2446368 0.78 PSIP1 (0.60) ALDH1A1MEN1KMT2AMMP13PSIP1
SCHEMBL11005081 0.78 MMP13 (0.40) ALDH1A1MEN1KMT2AMMP13HSD11B1
SCHEMBL159760 0.78 PSIP1 (0.58) ALDH1A1MEN1KMT2AGAAPSIP1
SCHEMBL507150 0.77 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMMP13GAA
SCHEMBL7684910 0.76 MEN1 (0.34) ALDH1A1MEN1KMT2AMMP13
SCHEMBL25385935 0.75 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMMP13GAA
SCHEMBL10453838 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMMP13GAA
SCHEMBL10266898 0.75 PLCG1 (0.59) ALDH1A1MEN1KMT2AMMP13GAA
SCHEMBL2916646 0.75 KMT2A (0.53) ALDH1A1MEN1KMT2AMMP13GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678907-B2 Halogenation of rylen-carboximides with elementary halogen in a two-phase mixture comprising an organic solvent and water, wherein formed halogen hydroxide is continuously removable from the organic solvent BASF AKTIENGESSELLSCHAFT (DE) 2010-03-16 US disclosed
EP-1802622-B1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF SE (DE) 2008-04-23 EP disclosed
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 US disclosed
EP-1802622-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2007-07-04 EP disclosed
WO-2006037539-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2006-04-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent CYP8B1, HACL2, CTRB2 ALDH1A1 1379/4885MEN1 2805/4885KMT2A 1677/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.